3-Fluorohexane
Basic information
- CAS
52688-75-2- Standard SMILES
CCCC(F)CC- InChIKey
OZNLYXKOYORFRP-UHFFFAOYSA-N- Molecular formula
- C6H13F
- Average molar mass
- 104.17 g/mol
- Monoisotopic mass
- 104.10012858
Names & identifiers
- Preferred name
- 3-Fluorohexane
- IUPAC
- 3-fluorohexane
Names & synonyms
3-fluorohexane52688-75-2DTXSID00545188RefChem:1067837DTXCID60495973Hexane, 3-fluoro-SCHEMBL477795SCHEMBL478076SCHEMBL4250670SCHEMBL4353048SCHEMBL11728709SCHEMBL11862202
Show more names
SCHEMBL22534455SCHEMBL29024776AKOS006279402
Database identifiers
- CAS
52688-75-2- PubChem CID
- 13620131
- DTXSID
DTXSID00545188
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 35.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
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Related reactions
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Compound notes
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